3-[18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-22-oxidanyl-23H-porphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-22-oxidanyl-23H-porphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-12-ethyl-22-hydroxy-3,8,13,17-tetramethyl-7-vinyl-23H-porphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-7-ethenyl-12-ethyl-22-hydroxy-3,8,13,17-tetramethyl-23H-porphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-7-ethenyl-12-ethyl-22-hydroxy-3,8,13,17-tetramethyl-23H-porphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-12-ethyl-22-hydroxy-3,8,13,17-tetramethyl-7-vinyl-23H-porphin-2-yl]propionic acid Formula: C34H36N4O5 MolecularWeight: 580.67344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3O)C=C)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3O)C=C)C

InChI

InChI=1S/C34H36N4O5/c1-7-21-17(3)25-13-26-18(4)23(9-11-33(39)40)28(35-26)14-29-24(10-12-34(41)42)19(5)27(37-29)15-32-22(8-2)20(6)31(38(32)43)16-30(21)36-25/h8,13-16,36,43H,2,7,9-12H2,1,3-6H3,(H,39,40)(H,41,42)